4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine

C12H16BrN3 — CID 106844928

IUPAC4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine
SMILESBrCCCCNCc1cn2ccccc2n1
InChIInChI=1S/C12H16BrN3/c13-6-2-3-7-14-9-11-10-16-8-4-1-5-12(16)15-11/h1,4-5,8,10,14H,2-3,6-7,9H2
InChIKeyDXDVRKKVESDQJQ-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.60
Rot. Bonds6

About 4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine

4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine (PubChem CID 106844928) has the molecular formula C12H16BrN3 and a molecular weight of 282.18 g/mol. Its IUPAC name is 4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine
PubChem CID106844928
Molecular FormulaC12H16BrN3
Molecular Weight282.18 g/mol
Exact Mass281.05
IUPAC Name4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine
SMILESBrCCCCNCc1cn2ccccc2n1
InChIInChI=1S/C12H16BrN3/c13-6-2-3-7-14-9-11-10-16-8-4-1-5-12(16)15-11/h1,4-5,8,10,14H,2-3,6-7,9H2
InChIKeyDXDVRKKVESDQJQ-UHFFFAOYSA-N
XLogP2.60
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-iodopentan-1-amine
CID 107320212
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyloctan-1-amine
CID 60689918
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-iodoethanamine
CID 114505443
3-cyclopropyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propan-1-amine
CID 115654278
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60698046
3-(3,5-dimethylpyrazol-1-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propan-1-amine
CID 115573483
2-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethoxy]acetamide
CID 106236565
4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol
CID 115572847
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 103603783
3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688880
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)propane-1,3-diol
CID 65313149
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine
CID 60687022

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine?
The IUPAC name of 4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine (CID 106844928) is 4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine is BrCCCCNCc1cn2ccccc2n1.
What is the InChIKey of 4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine?
The InChIKey is DXDVRKKVESDQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c13-6-2-3-7-14-9-11-10-16-8-4-1-5-12(16)15-11/h1,4-5,8,10,14H,2-3,6-7,9H2.
What are the key properties of 4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine?
4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine has a molecular weight of 282.18 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106844928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).